2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide

C23H20N6OS — CID 138589499

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide
SMILESCN1CC=C(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4nn3)ccn2)CC1
InChIInChI=1S/C23H20N6OS/c1-29-8-5-15(6-9-29)20-11-17(4-7-25-20)23(30)26-22-12-18-10-16(21-13-24-14-31-21)2-3-19(18)27-28-22/h2-5,7,10-14H,6,8-9H2,1H3,(H,26,28,30)
InChIKeyVGXVFNBIJBGISN-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.12
Rot. Bonds4

About 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide (PubChem CID 138589499) has the molecular formula C23H20N6OS and a molecular weight of 428.52 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide
PubChem CID138589499
Molecular FormulaC23H20N6OS
Molecular Weight428.52 g/mol
Exact Mass428.14
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide
SMILESCN1CC=C(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4nn3)ccn2)CC1
InChIInChI=1S/C23H20N6OS/c1-29-8-5-15(6-9-29)20-11-17(4-7-25-20)23(30)26-22-12-18-10-16(21-13-24-14-31-21)2-3-19(18)27-28-22/h2-5,7,10-14H,6,8-9H2,1H3,(H,26,28,30)
InChIKeyVGXVFNBIJBGISN-UHFFFAOYSA-N
XLogP4.12
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138588496
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138591463
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588787
2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138588795
2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138590328
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide
CID 166783949
2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone
CID 159037627
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide
CID 138587835
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide
CID 138589377
2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138587728
1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 148719871
2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 138588919

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide (CID 138589499) is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide is CN1CC=C(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4nn3)ccn2)CC1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide?
The InChIKey is VGXVFNBIJBGISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6OS/c1-29-8-5-15(6-9-29)20-11-17(4-7-25-20)23(30)26-22-12-18-10-16(21-13-24-14-31-21)2-3-19(18)27-28-22/h2-5,7,10-14H,6,8-9H2,1H3,(H,26,28,30).
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide?
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide has a molecular weight of 428.52 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138589499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).